57696-89-6 | 3,5,5-Trimethylcyclohexane-1,2-dione

Packsize	Purity	Availability	Price	Discounted Price
5g	97%	in stock	$25.00	$17.00
25g	97%	in stock	$41.00	$29.00
100g	97%	in stock	$89.00	$62.00
500g	97%	in stock	$249.00	$175.00

Description

• Catalog Number: AB63799
• Chemical Name: 3,5,5-Trimethylcyclohexane-1,2-dione
• CAS Number: 57696-89-6
• Molecular Formula: C9H14O2
• Molecular Weight: 154.2063
• MDL Number: MFCD02684972
• SMILES: O=C1C(C)CC(CC1=O)(C)C

Computed Properties

• Complexity: 204
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Undefined Atom Stereocenter Count: 1
• XLogP3: 1.4

Literature

• Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

  Journal of medicinal chemistry 20050421